SCHEMBL213979

SCHEMBL213979

CS(=O)(=O)c1ccc(-c2oc(-c3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.68
PTGS1 P23219 3/20 0.68
FAAH O00519 2/20 0.57
KCNH2 Q12809 2/20 0.57
USP1 O94782 1/20 0.53
USP19 O94966 1/20 0.53
UCHL3 P15374 1/20 0.53
MAPK14 Q16539 3/20 0.53
MAPK11 Q15759 2/20 0.52
MAPK13 O15264 1/20 0.52
GCGR P47871 1/20 0.52
MAPK12 P53778 1/20 0.52
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX5 P09917 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8553156 1.00 PTGS2 (0.68) PTGS2PTGS1FAAHKCNH2USP1
SCHEMBL7504194 1.00 PTGS2 (0.68) PTGS2PTGS1FAAHKCNH2USP1
SCHEMBL5698709 0.95 PTGS2 (0.75) PTGS2PTGS1FAAHKCNH2USP1
SCHEMBL7505884 0.87 PTGS2 (0.67) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL7506192 0.87 PTGS2 (0.67) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL9113400 0.86 MAPK14 (0.61) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL7503544 0.81 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7503718 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL216233 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL19953600 0.81 PTGS2 (0.75) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 375 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479385-B1 Use of cyclooxygenase-2 inhibitors in the treatment and prevention of neoplasia SEARLE LLC (US) 2008-07-02 EP claimed
EP-0843549-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4 HYDROLASE INHIBITOR SEARLE & CO (US) 2006-04-12 EP claimed
EP-0833622-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-08-10 EP claimed
EP-1539142-A2 USE OF AN AMYLOID BETA VACCINATION IN COMBINATION WITH A SELECTIVE COX-2 INHIBITOR FOR THE TREATMENT OF ALZHEIMER S DISEASE Pharmacia Corporation (US) 2005-06-15 EP claimed
EP-1536863-A1 USE OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS AND THROMBOLYTIC AGENTS FOR THE TREATMENT OR PREVENTION OF A VASO-OCCLUSIVE EVENT Pharmacia Corporation (US) 2005-06-08 EP claimed
EP-1509224-A1 METHODS USING A COMBINATION OF A 3-HETEROARYL-2-INDOLINONE AND A CYCLOOXYGENASE-2 INHIBITOR FOR THE TREATMENT OF NEOPLASIA Pharmacia Corporation (US) 2005-03-02 EP claimed
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 US claimed
EP-1479385-A1 Use of cyclooxygenase-2 inhibitors in the treatment and prevention of neoplasia G.D. Searle LLC (US) 2004-11-24 EP claimed
EP-1463500-A1 USE OF COX-2 INHIBITORS IN COMBINATION WITH ANTIVIRAL AGENTS FOR THE TREATMENT OF PAPILLOMA VIRUS INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2004-10-06 EP claimed
US-20040186154-A1 Therapeutic combinations for cardiovascular and inflammatory indications SEIBERT KAREN (US) 2004-09-23 US claimed
WO-1998047509-A1 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE PREVENTION OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1998-10-29 WO claimed
WO-1998016227-A9 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA 1998-07-30 WO claimed
WO-1998022101-A2 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS AS ANTI-ANGIOGENIC AGENTS G.D. SEARLE & CO. (US) 1998-05-28 WO claimed
EP-0843549-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A 4? HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1998-05-27 EP claimed
EP-0833664-A1 COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B 4? RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS G.D. SEARLE & CO. (US) 1998-04-08 EP claimed
WO-1996041645-A1 COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE B4 RECEPTOR ANTAGONIST FOR THE TREATMENT OF INFLAMMATIONS G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
WO-1996041625-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A LEUKOTRIENE A4 HYDROLASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 WO claimed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
US-5380738-A Side effect reduction MONSANTO COMPANY (US) 1995-01-10 US claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040186154-A1 Therapeutic combinations for cardiovascular and inflammatory indications HMGCR, HMGB2, HMGB3 PTGS2 7/4885PTGS1 18/4885FAAH 1304/4885
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 PTGS2 1/4885PTGS1 2/4885FAAH 750/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.